Glycopyrronium Bromide EP Impurity C (S-Isomer) - CAS 17199-29-0

Catalog:	BB012783
Product Name:	Glycopyrronium Bromide EP Impurity C (S-Isomer)
CAS:	17199-29-0
Synonyms:	(S)-(+)-Mandelic acid; (S)-Mandelic acid; L-mandelic acid

Technical Data

IUPAC Name:	(2S)-2-hydroxy-2-phenylacetic acid
Description:	An impurity of Glycopyrrolate, which is an anticholinergic agent with antispasmodic activity used to treat gastrointestinal conditions associated.
Molecular Weight:	152.15
Molecular Formula:	C8H8O3
Canonical SMILES:	C1=CC=C(C=C1)C(C(=O)O)O
InChI:	InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/t7-/m0/s1
InChI Key:	IWYDHOAUDWTVEP-ZETCQYMHSA-N
Boiling Point:	321.8 °C / 760 mmHg
Melting Point:	131-134 °C
Flash Point:	> 190 °C(374.0 °F)
Purity:	≥ 99 %
Density:	1.321 g/cm³
Solubility:	Soluble in water.
Appearance:	Powder or crystals
Storage:	Keep in dark place. Room temperature.
MDL:	MFCD00004495
LogP:	0.80460
Refractive Index:	153.5 ° (C=1, H2O)
Stability:	Stable, but light sensitive. Combustible. Incompatible with strong bases, strong oxidizing agents, strong reducing agents.
Vapor Pressure:	0.00012mmHg at 25°C

GHS Hazard Statement:	H302 (30.05%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
EP-3825318-A1	Oxalamido-substituted tricyclic inhibitors of hepatitis b virus	20191125
WO-2021086726-A1	Improved methods, kits, compositions and dosing regimens for the use of heterocyclic inhibitors of erk1 and erk2	20191028
WO-2021052402-A1	Camptothecin derivative and conjugate thereof	20190918
EP-3741762-A1	Oxalamido-substituted tricyclic inhibitors of hepatitis b virus	20190523
WO-2020234483-A1	Oxalamido-substituted tricyclic inhibitors of hepatitis b virus	20190523

PMID	Publication Date	Title	Journal
23035445	20120901	Investigating chiral recognizability of diastereomeric crystallization of mandelic acid and L-phenylalanine	Journal of nanoscience and nanotechnology
22457873	20120521	Chiral acid selectivity displayed by PEDOT electropolymerised in the presence of chiral molecules	The Analyst
22452625	20120416	Non-centrosymmetric coordination polymer with a highly hindered octahedral copper center bridged by mandelate	Inorganic chemistry
22468964	20120412	Comment on 'Enantiomer resolution by pressure increase: inferences from experimental and topological results for the binary enantiomer system (R)- and (S)-mandelic acid'	The journal of physical chemistry. B
21834528	20120221	Enantioselective fluorescent sensors: a tale of BINOL	Accounts of chemical research

Complexity:	138
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	152.047344113
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	152.047344113
Rotatable Bond Count:	2
Topological Polar Surface Area:	57.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6